(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene

C8H10ClF — CID 88967136

IUPAC(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene
SMILESC=C(F)/C(Cl)=C\C(C)=C/C
InChIInChI=1S/C8H10ClF/c1-4-6(2)5-8(9)7(3)10/h4-5H,3H2,1-2H3/b6-4-,8-5+
InChIKeyBDYGMPNVQYZFNY-QXMOYCCXSA-N
MW160.62 g/mol
LogP3.56
Rot. Bonds2

About (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene

(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene (PubChem CID 88967136) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene
PubChem CID88967136
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene
SMILESC=C(F)/C(Cl)=C\C(C)=C/C
InChIInChI=1S/C8H10ClF/c1-4-6(2)5-8(9)7(3)10/h4-5H,3H2,1-2H3/b6-4-,8-5+
InChIKeyBDYGMPNVQYZFNY-QXMOYCCXSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-fluoro-2-methylpenta-1,3-diene
CID 13165649
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(2E,4Z)-3-fluoro-4-methylhexa-2,4-diene
CID 23234291
2-Chloro-4-fluoro-1-methylcyclohexa-1,3-diene
CID 54377644
7-Fluoro-4-methylhepta-1,2,4-triene
CID 57085200
2-Chloro-6-fluoro-1-prop-1-en-2-ylcyclohexa-1,3-diene
CID 68266519
1-Chloro-7-fluoro-4,5-dimethylcyclohepta-1,3,5-triene
CID 68267650
2-Chloro-1-fluoro-4-methylcyclohexa-1,3-diene
CID 69945738
3-Fluoro-2-methylpenta-1,3-diene
CID 73167042
3-Fluoro-4-methylhexa-2,4-diene
CID 74023489
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
CID 87152714
(4E,6E)-5-fluoro-2,7-dimethylnona-2,4,6-triene
CID 87152718

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene (CID 88967136) is (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene is C=C(F)/C(Cl)=C\C(C)=C/C.
What is the InChIKey of (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene?
The InChIKey is BDYGMPNVQYZFNY-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H10ClF/c1-4-6(2)5-8(9)7(3)10/h4-5H,3H2,1-2H3/b6-4-,8-5+.
What are the key properties of (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene?
(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene has a molecular weight of 160.62 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 88967136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).